bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane

C123H216N8O6 — CID 159824806

About bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane

bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane (PubChem CID 159824806) has the molecular formula C123H216N8O6 and a molecular weight of 1903.13 g/mol. Its IUPAC name is bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane.

Molecular Properties

• Compound Name: bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane
• PubChem CID: 159824806
• Molecular Formula: C123H216N8O6
• Molecular Weight: 1903.13 g/mol
• Exact Mass: 1901.68
• IUPAC Name: bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane
• SMILES: CC.CC.CC.CN(Cc1ccc2c(c1)OCO2)C1CCC(C(C)(C)C)CC1.CN(Cc1ccc2c(c1)OCO2)C1CCC(C(C)(C)C)CC1.CN(Cc1ccccc1)C1CCC(C(C)(C)C)CC1.CN(Cc1ccccc1)C1CCC(C(C)(C)C)CC1.CN(Cc1cccnc1)C1CCC(C(C)(C)C)CC1.COCN(C)C1CCC(C(C)(C)C)CC1.COCN(C)C1CCC(C(C)(C)C)CC1
• InChI: InChI=1S/2C19H29NO2.2C18H29N.C17H28N2.2C13H27NO.3C2H6/c2*1-19(2,3)15-6-8-16(9-7-15)20(4)12-14-5-10-17-18(11-14)22-13-21-17;2*1-18(2,3)16-10-12-17(13-11-16)19(4)14-15-8-6-5-7-9-15;1-17(2,3)15-7-9-16(10-8-15)19(4)13-14-6-5-11-18-12-14;2*1-13(2,3)11-6-8-12(9-7-11)14(4)10-15-5;3*1-2/h2*5,10-11,15-16H,6-9,12-13H2,1-4H3;2*5-9,16-17H,10-14H2,1-4H3;5-6,11-12,15-16H,7-10,13H2,1-4H3;2*11-12H,6-10H2,1-5H3;3*1-2H3
• InChIKey: NMRVJXQMJSVBCL-UHFFFAOYSA-N
• XLogP: 31.80
• TPSA: 90.95 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1903.13
LogP ≤ 5	31.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane?

The IUPAC name of bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane (CID 159824806) is bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane.

What is the SMILES notation for bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane?

The canonical SMILES for bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane is CC.CC.CC.CN(Cc1ccc2c(c1)OCO2)C1CCC(C(C)(C)C)CC1.CN(Cc1ccc2c(c1)OCO2)C1CCC(C(C)(C)C)CC1.CN(Cc1ccccc1)C1CCC(C(C)(C)C)CC1.CN(Cc1ccccc1)C1CCC(C(C)(C)C)CC1.CN(Cc1cccnc1)C1CCC(C(C)(C)C)CC1.COCN(C)C1CCC(C(C)(C)C)CC1.COCN(C)C1CCC(C(C)(C)C)CC1.

What is the InChIKey of bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane?

The InChIKey is NMRVJXQMJSVBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H29NO2.2C18H29N.C17H28N2.2C13H27NO.3C2H6/c2*1-19(2,3)15-6-8-16(9-7-15)20(4)12-14-5-10-17-18(11-14)22-13-21-17;2*1-18(2,3)16-10-12-17(13-11-16)19(4)14-15-8-6-5-7-9-15;1-17(2,3)15-7-9-16(10-8-15)19(4)13-14-6-5-11-18-12-14;2*1-13(2,3)11-6-8-12(9-7-11)14(4)10-15-5;3*1-2/h2*5,10-11,15-16H,6-9,12-13H2,1-4H3;2*5-9,16-17H,10-14H2,1-4H3;5-6,11-12,15-16H,7-10,13H2,1-4H3;2*11-12H,6-10H2,1-5H3;3*1-2H3.

What are the key properties of bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane?

bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane has a molecular weight of 1903.13 g/mol, XLogP of 31.80, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine);bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);bis(4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane is sourced from PubChem (CID 159824806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).